(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone

C18H18N4O — CID 154872040

IUPAC(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1[nH]nc2cc(C(=O)N3CCC(c4ccccc4)C3)ncc12
InChIInChI=1S/C18H18N4O/c1-12-15-10-19-17(9-16(15)21-20-12)18(23)22-8-7-14(11-22)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,21)
InChIKeyFKCGDJUQKFIKES-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.90
Rot. Bonds2

About (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone

(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 154872040) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID154872040
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESCc1[nH]nc2cc(C(=O)N3CCC(c4ccccc4)C3)ncc12
InChIInChI=1S/C18H18N4O/c1-12-15-10-19-17(9-16(15)21-20-12)18(23)22-8-7-14(11-22)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,21)
InChIKeyFKCGDJUQKFIKES-UHFFFAOYSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 136579737
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
5-(3-methyl-4-phenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120685797
(3-methyl-1,2-benzoxazol-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154872305
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 81310359
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone (CID 154872040) is (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone is Cc1[nH]nc2cc(C(=O)N3CCC(c4ccccc4)C3)ncc12.
What is the InChIKey of (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is FKCGDJUQKFIKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-15-10-19-17(9-16(15)21-20-12)18(23)22-8-7-14(11-22)13-5-3-2-4-6-13/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,21).
What are the key properties of (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone?
(3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 154872040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).